{4-[5-(Cyclopropyl-methyl-amino)-4-methoxy-8,8-dimethyl-5,6,7,8-tetrahydro-naphthalen-2-ylethynyl]-2-fluoro-phenyl}-acetic acid methyl ester
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
COC(=O)Cc1ccc(C#Cc2cc(OC)c3c(c2)C(C)(C)CCC3N(C)C2CC2)cc1F- InChIKey
UPTCZXDTIMGQCM-UHFFFAOYSA-N- Molecular formula
- C28H32FNO3
- Average molar mass
- 449.6 g/mol
Names & identifiers
- Preferred name
- {4-[5-(Cyclopropyl-methyl-amino)-4-methoxy-8,8-dimethyl-5,6,7,8-tetrahydro-naphthalen-2-ylethynyl]-2-fluoro-phenyl}-acetic acid methyl ester
- IUPAC
- methyl 2-[4-[2-[5-[cyclopropyl(methyl)amino]-4-methoxy-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl]ethynyl]-2-fluorophenyl]acetate
Names & synonyms
SCHEMBL4512500UPTCZXDTIMGQCM-UHFFFAOYSA-N{4-[5-(Cyclopropyl-methyl-amino)-4-methoxy-8,8-dimethyl-5,6,7,8-tetrahydro-naphthalen-2-ylethynyl]-2-fluoro-phenyl}-acetic acid methyl ester
Database identifiers
- PubChem CID
- 69074012
Properties
Computed structural propertiesFilling in
- XLogP
- 5.9
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 766
Related reactions
8 records
Compound notes
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